2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole

C12H21N5O — CID 82481291

IUPAC2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
SMILESC1CCN(c2nnc(CCN3CCNCC3)o2)C1
InChIInChI=1S/C12H21N5O/c1-2-7-17(6-1)12-15-14-11(18-12)3-8-16-9-4-13-5-10-16/h13H,1-10H2
InChIKeyBTWHIIGFVGAXRP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.12
Rot. Bonds4

About 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole

2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole (PubChem CID 82481291) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
PubChem CID82481291
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
SMILESC1CCN(c2nnc(CCN3CCNCC3)o2)C1
InChIInChI=1S/C12H21N5O/c1-2-7-17(6-1)12-15-14-11(18-12)3-8-16-9-4-13-5-10-16/h13H,1-10H2
InChIKeyBTWHIIGFVGAXRP-UHFFFAOYSA-N
XLogP0.12
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
CID 82470813
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
2-[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 106957559
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84693175
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
CID 97205446
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
2-(8-azaspiro[4.6]undecan-8-ylmethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 167899694
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole (CID 82481291) is 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole is C1CCN(c2nnc(CCN3CCNCC3)o2)C1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
The InChIKey is BTWHIIGFVGAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-7-17(6-1)12-15-14-11(18-12)3-8-16-9-4-13-5-10-16/h13H,1-10H2.
What are the key properties of 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole?
2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82481291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).